2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-

Base Information

• Chemical Name: 2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-
• CAS No.: 87221-88-3
• Molecular Formula: C13H20O2
• Molecular Weight: 208.301
• DSSTox Substance ID: DTXSID60463713
• Nikkaji Number: J1.158.717H
• Wikidata: Q82288721

Synonyms:87221-88-3;3,5-di-tert-butyl-2-pyrone;2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-;3,5-di-t-butyl-2-pyrone;DTXSID60463713

Chemical Property of 2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 208.146329876
• Heavy Atom Count: 15
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=COC1=O)C(C)(C)C

Technology Process of 2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-

There total 18 articles about 2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 58.0%

3,5-Di-tert-butylcatechol (1020-31-1,122983-47-5,881376-69-8) → 3,5-di-tert-butyl-muconic acid anhydride (24289-60-9) + 3,5-di-tert-butyl-o-benzoquinone (3383-21-9) + 4,6-di-tert-butyl-2-pyrone (70810-35-4) + 3,5-di-tert-butyl-2-pyrone (87221-88-3)

Guidance literature:

3,5-Di-tert-butylcatechol; With C₁₉H₂₅Cl₃FeN₅O; sodium tetraphenyl borate; triethylamine; In acetonitrile; for 3652.5h; Inert atmosphere;

With oxygen; In acetonitrile; for 6h;

DOI:10.1002/chem.200802591

Reference yield: 37.0%

3,5-di-tert-butyl-o-benzoquinone (3383-21-9) → 3,5-di-tert-butyl-muconic acid anhydride (24289-60-9) + 2,4-di-tert-butyl-4-hydroxy-(Z)-2-hexenedioic acid lactone methyl ester (22961-94-0) + 5-hydroxy-3,5-di-tert-butyl-2-furanone (3807-35-0) + 3,5-di-tert-butyl-2-pyrone (87221-88-3)

Guidance literature:

With potassium peroxomonosulphate; In 1,4-dioxane; methanol; water; at 10 ℃; phosphate buffer pH 7;

DOI:10.1039/c39830000518

Reference yield: 37.0%

methanol (67-56-1) + 3,5-di-tert-butyl-o-benzoquinone (3383-21-9) → 3,5-di-tert-butyl-muconic acid anhydride (24289-60-9) + 2,4-di-tert-butyl-4-hydroxy-(Z)-2-hexenedioic acid lactone methyl ester (22961-94-0) + 5-hydroxy-3,5-di-tert-butyl-2-furanone (3807-35-0) + 3,5-di-tert-butyl-2-pyrone (87221-88-3)

Guidance literature:

With potassium peroxomonosulphate; In 1,4-dioxane; water; at 10 ℃; phosphate buffer pH 7;

DOI:10.1039/c39830000518

upstream raw materials:

methanol

3,5-di-tert-butyl-o-benzoquinone

3,5-Di-tert-butylcatechol

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